KEGG   COMPOUND: C10801
Entry
C10801                      Compound                               
Name
Cyclovirobuxine C
Formula
C27H48N2O
Exact mass
416.3767
Mol weight
416.6828
Structure
Brite
Phytochemical compounds [BR:br08003]
 Alkaloids
  Alkaloids derived by amination reactions
   Steroid alkaloids
    C10801  Cyclovirobuxine C
Other DBs
CAS: 30276-35-8
PubChem: 12984
ChEBI: 4032
KNApSAcK: C00002247
3DMET: B04135
NIKKAJI: J2.779.761J
KCF data

ATOM        30
            1   C1y C    30.2916  -16.3791
            2   C1x C    27.9105  -16.3715
            3   C1y C    27.8871  -19.1125
            4   C1x C    26.6408  -17.0400
            5   C1z C    26.6991  -18.4135
            6   C1x C    27.8871  -20.4856
            7   C1z C    25.5126  -19.1008
            8   C1x C    26.6874  -21.1660
            9   C1y C    25.5067  -20.4741
            10  C1x C    24.3259  -18.4076
            11  C1x C    25.5080  -17.7275
            12  C1z C    24.3259  -21.1601
            13  C1x C    23.1323  -19.1008
            14  C1y C    23.1323  -20.4741
            15  N1b N    21.8695  -21.1601
            16  C1a C    29.0560  -19.8103
            17  C1a C    29.0787  -15.6927
            18  C1a C    20.6051  -20.4729
            19  C1a C    23.2088  -22.4814
            20  C1a C    24.9523  -22.4752
            21  C1z C    29.0153  -17.0601
            22  C1z C    29.0736  -18.4426
            23  C1x C    31.4676  -18.3927
            24  C1y C    31.4793  -17.0803
            25  C1c C    30.3031  -15.0113
            26  C1a C    29.1212  -14.3174
            27  N1c N    31.4896  -14.3374
            28  C1a C    32.6717  -15.0311
            29  C1a C    31.5011  -12.8997
            30  O1a O    32.6729  -16.4065
BOND        34
            1    14  15 1 #Up
            2     4   5 1
            3     8   9 1
            4    13  14 1
            5    22  16 1 #Down
            6     5  11 1 #Up
            7    21  17 1 #Up
            8    21   2 1
            9    22   3 1
            10   15  18 1
            11   12  19 1
            12    2   4 1
            13   12  20 1
            14    3   5 1
            15    3   6 1
            16    5   7 1
            17    6   8 1
            18   21  22 1
            19   23  24 1
            20   24   1 1
            21    1  21 1
            22   22  23 1
            23    7   9 1
            24    1  25 1
            25    7  10 1
            26   25  26 1
            27    7  11 1 #Up
            28   25  27 1 #Down
            29    9  12 1
            30   27  28 1
            31   10  13 1
            32   27  29 1
            33   12  14 1
            34   24  30 1 #Down

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